{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.083981 0.148877 ] [ 0.5 0.916019 0.351123 ] [ 0.5 0.916019 0.648877 ] [ 0 0.083981 0.851123 ] [ 0 0.984881 0 ] [ 0 0.336942 0.139837 ] [ 0.5 0.008645 0.1816 ] [ 0 0.991355 0.3184 ] [ 0.5 0.663058 0.360163 ] [ 0.5 0.015119 0.5 ] [ 0.5 0.663058 0.639837 ] [ 0 0.991355 0.6816 ] [ 0.5 0.008645 0.8184 ] [ 0 0.336942 0.860163 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.63468402 "source-unit" "angstrom" } "b" { "source-value" 6.3248994 "source-unit" "angstrom" } "c" { "source-value" 11.4193306 "source-unit" "angstrom" } }